Macrantoridine
TL;DR: Macrantoridine (CAS 65560-20-5) is a chemical compound with molecular formula C22H25NO7 and molecular weight 415.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethoxy-6-[[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]benzoic acid
Also Known As: Macrantoridine, (-)-Macrantoridine, 2,3-Dimethoxy-6-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]benzoic acid, 2,3-dimethoxy-6-[[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]benzoic acid, 2,3-Dimethoxy-6-{[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl}benzoic acid
| Molecular Formula | C22H25NO7 |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.16312 |
| Heavy Atoms | 30 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 65560-20-5 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2[C@@H]1CC4=C(C(=C(C=C4)OC)OC)C(=O)O)OC)OCO3 |
| InChIKey | REAJHAFEOXIXJD-AWEZNQCLSA-N |
Product Overview
Macrantoridine (CAS 65560-20-5), with molecular formula C22H25NO7 and molecular weight 415.16 g/mol. IUPAC: 2,3-dimethoxy-6-[[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]benzoic acid.
Chemical Property Profile of Macrantoridine
Property Insights of Macrantoridine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Macrantoridine. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Macrantoridine. Following Lipinski's Rule of Five, Macrantoridine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Macrantoridine?
The CAS number of Macrantoridine is 65560-20-5.
What is the molecular formula of Macrantoridine?
The molecular formula of Macrantoridine is C22H25NO7.
What is the molecular weight of Macrantoridine?
The molecular weight of Macrantoridine is 415.16 g/mol.
Where can I buy Macrantoridine?
You can request a quote for Macrantoridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Macrantoridine?
Yes, KEHONG BIO provides custom synthesis services for Macrantoridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.